Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIK1 | P39086 | 4/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | PPM1D | O15297 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA7 | P43166 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.38 |
| ▸ | LCK | P06239 | 1/20 | 0.38 |
| ▸ | FYN | P06241 | 1/20 | 0.38 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.37 |
| ▸ | TPMT | P51580 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CA3 | P07451 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL28056425 | 0.96 | GRIK1 (0.45) | GRIK1MEN1KMT2APPM1DCA12 | |
| SCHEMBL23570421 | 0.87 | TPMT (0.53) | GRIK1MEN1KMT2ATPMTKDM4E | |
| SCHEMBL23531175 | 0.83 | MRGPRX4 (0.47) | GRIK1MEN1KMT2A | |
| SCHEMBL28133767 | 0.80 | GPR84 (0.38) | GRIK1PPM1DCA12CA1CA2 | |
| SCHEMBL2812600 | 0.79 | KMT2A (0.56) | GRIK1MEN1KMT2AALDH1A1TP53 | |
| SCHEMBL9005566 | 0.73 | PPM1D (0.64) | GRIK1PPM1DFOLH1 | |
| SCHEMBL9005670 | 0.73 | PPM1D (0.64) | GRIK1PPM1DFOLH1 | |
| SCHEMBL17395812 | 0.72 | TSHR (0.44) | MEN1KMT2AALDH1A1HPGDHCAR3 | |
| SCHEMBL16749638 | 0.72 | CA12 (0.48) | MEN1KMT2ACA12CA1CA2 | |
| SCHEMBL1950244 | 0.72 | CA12 (0.48) | CA12CA1CA2CA7CA9 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105408335-B | Pyrazolo pyrrolidin derivatives and its purposes in disease is treated | 诺华股份有限公司 | 2017-11-17 | — | — | CN | disclosed |
| CN-107011272-A | Pyrazines derivatives | 霍夫曼-拉罗奇有限公司 | 2017-08-04 | — | — | CN | disclosed |
| CN-104024232-A | NOVEL PYRAZINE DERIVATIVES | HOFFMANN LA ROCHE | 2014-09-03 | — | — | CN | disclosed |
| CN-101553474-B | Imidazolidinone and imidazolidinone derivatives as 11b-HSD1 inhibitors for diabetes | HOFFMANN LA ROCHE | 2013-02-27 | — | — | CN | disclosed |
| CN-101553474-A | Imidazolidinone and imidazolidinone derivatives as 11 b-HSD 1 inhibitors for diabetes | HOFFMANN LA ROCHE (CH) | 2009-10-07 | — | — | CN | disclosed |